SCHEMBL2388341

SCHEMBL2388341

COc1[c]ccc(N2CCNCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 8/20 0.56
HTR3E A5X5Y0 2/20 0.51
HTR3B O95264 2/20 0.51
HTR3A P46098 2/20 0.51
HTR3D Q70Z44 2/20 0.51
HTR3C Q8WXA8 2/20 0.51
SIGMAR1 Q99720 2/20 0.51
HTR1A P08908 3/20 0.50
HTR1D P28221 1/20 0.50
HTR1B P28222 1/20 0.50
HTR7 P34969 3/20 0.48
CHRNB2 P17787 2/20 0.48
CHRNA4 P43681 2/20 0.48
ACVR1 Q04771 2/20 0.45
TGFBR1 P36897 2/20 0.45
ACVR1B P36896 1/20 0.45
HTR2C P28335 2/20 0.45
ADRB2 P07550 1/20 0.43
NCF1 P14598 1/20 0.43
PLD1 Q13393 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3143426 0.86 ALDH1A1 (0.45) ADRB1CHRNB2CHRNA4HTT
SCHEMBL29249307 0.85 ALDH1A1 (0.44) ADRB1CHRNB2CHRNA4HTT
SCHEMBL3140130 0.85 ALDH1A1 (0.44) ADRB1CHRNB2CHRNA4TP53THRB
SCHEMBL4165953 0.82 ADRA2C (0.45) HTR3AACVR1TGFBR1HTTHTR6
SCHEMBL3140169 0.81 TGFBR1 (0.43) ACVR1TGFBR1TP53CYP1A2CYP3A4
SCHEMBL16993793 0.78 CHRNA7 (0.47) THRB
SCHEMBL17293924 0.78 ADRB1 (0.56) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL12466108 0.77 SUV39H2 (0.41) SIGMAR1ACVR1CYP2D6
SCHEMBL12466365 0.77 L3MBTL3 (0.56)
SCHEMBL3139272 0.76 ACVR1B (0.46) ACVR1TGFBR1ACVR1BTP53CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8017611-B2 Pyridine and pyrazine derivatives -083 ASTRAZENECA AB (SE) 2011-09-13 US disclosed
EP-2215085-B1 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-09-07 EP disclosed
EP-2215085-A2 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2010-08-11 EP disclosed
US-20090118305-A1 PYRIDINE AND PYRAZINE DERIVATIVES - 083 ASTRAZENECA AB (SE) 2009-05-07 US disclosed
WO-2009053737-A2 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2009-04-30 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090118305-A1 PYRIDINE AND PYRAZINE DERIVATIVES - 083 MKI67, CCND3, CCND1 ADRB1 922/4885HTR3E 1458/4885HTR3B 1645/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.